Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:46 UTC
HMDB IDHMDB0014884
Secondary Accession Numbers
  • HMDB14884
Metabolite Identification
Common NameDeferoxamine
DescriptionDeferoxamine is only found in individuals that have used or taken this drug. It is a natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form. [PubChem]Deferoxamine works in treating iron toxicity by binding trivalent (ferric) iron (for which it has a strong affinity), forming ferrioxamine, a stable complex which is eliminated via the kidneys. 100 mg of deferoxamine is capable of binding approximately 8.5 mg of trivalent (ferric) iron. Deferoxamine works in treating aluminum toxicity by binding to tissue-bound aluminum to form aluminoxamine, a stable, water-soluble complex. The formation of aluminoxamine increases blood concentrations of aluminum, resulting in an increased concentration gradient between the blood and dialysate, boosting the removal of aluminum during dialysis. 100 mg of deferoxamine is capable of binding approximately 4.1 mg of aluminum.
Structure
Data?1582753231
Synonyms
ValueSource
DeferoxaminChEBI
DeferoxaminaChEBI
DeferoxaminumChEBI
DeferrioxamineChEBI
Deferrioxamine bChEBI
DesferrioxamineChEBI
DFOChEBI
Deferoxamide bHMDB
Deferoxamine bHMDB
Desferrioxamine bHMDB
DF bHMDB
DFOAHMDB
DFOMHMDB
N-Benzoylferrioxamine bHMDB
b, DeferoxamineHMDB
Deferoxamine mesylateHMDB
DeferoximineHMDB
DesferioximineHMDB
Desferrioxamine b mesylateHMDB
Mesylate, deferoxamineHMDB
Deferoxamine methanesulfonateHMDB
Mesylate, desferrioxamine bHMDB
Methanesulfonate, deferoxamineHMDB
b, DesferrioxamineHMDB
DesferalHMDB
Mesilate, deferoxamineHMDB
Deferoxamine mesilateHMDB
DesferroxamineHMDB
Chemical FormulaC25H48N6O8
Average Molecular Weight560.684
Monoisotopic Molecular Weight560.353362542
IUPAC NameN-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide
Traditional NameN-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]succinamide
CAS Registry Number70-51-9
SMILES
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
InChI Identifier
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
InChI KeyUBQYURCVBFRUQT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acetohydroxamic acids. These are organic compounds that contain a hydroxamic acid group carrying a methyl group attached to its carbon center.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentAcetohydroxamic acids
Alternative Parents
Substituents
  • Acetamide
  • Acetohydroxamic acid
  • Amino acid or derivatives
  • Carboximidic acid
  • Carboximidic acid derivative
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Carbonyl group
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point138 - 140 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.099 g/LNot Available
LogP-2.2Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available221.392http://allccs.zhulab.cn/database/detail?ID=AllCCS00001286
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.099 g/LALOGPS
logP0.93ALOGPS
logP-3.4ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)7.92ChemAxon
pKa (Strongest Basic)10.23ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area205.84 ŲChemAxon
Rotatable Bond Count23ChemAxon
Refractivity144.95 m³·mol⁻¹ChemAxon
Polarizability62.41 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+229.38431661259
DarkChem[M-H]-223.57931661259
DeepCCS[M+H]+229.93930932474
DeepCCS[M-H]-227.58130932474
DeepCCS[M-2H]-260.6530932474
DeepCCS[M+Na]+236.03330932474
AllCCS[M+H]+227.232859911
AllCCS[M+H-H2O]+226.632859911
AllCCS[M+NH4]+227.832859911
AllCCS[M+Na]+228.032859911
AllCCS[M-H]-227.232859911
AllCCS[M+Na-2H]-229.132859911
AllCCS[M+HCOO]-231.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DeferoxamineCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN4354.2Standard polar33892256
DeferoxamineCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN4487.3Standard non polar33892256
DeferoxamineCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN5045.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Deferoxamine,1TMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C5278.3Semi standard non polar33892256
Deferoxamine,1TMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C4808.9Standard non polar33892256
Deferoxamine,1TMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C7605.1Standard polar33892256
Deferoxamine,1TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C5099.5Semi standard non polar33892256
Deferoxamine,1TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C4596.7Standard non polar33892256
Deferoxamine,1TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C7964.8Standard polar33892256
Deferoxamine,1TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C5098.7Semi standard non polar33892256
Deferoxamine,1TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C4596.4Standard non polar33892256
Deferoxamine,1TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C7964.7Standard polar33892256
Deferoxamine,2TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C5137.8Semi standard non polar33892256
Deferoxamine,2TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C4723.6Standard non polar33892256
Deferoxamine,2TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C7057.3Standard polar33892256
Deferoxamine,2TMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C5137.6Semi standard non polar33892256
Deferoxamine,2TMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C4722.9Standard non polar33892256
Deferoxamine,2TMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C7057.2Standard polar33892256
Deferoxamine,2TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C5382.4Semi standard non polar33892256
Deferoxamine,2TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C4752.8Standard non polar33892256
Deferoxamine,2TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C7060.4Standard polar33892256
Deferoxamine,2TMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C)[Si](C)(C)C4915.6Semi standard non polar33892256
Deferoxamine,2TMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C)[Si](C)(C)C4527.6Standard non polar33892256
Deferoxamine,2TMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C)[Si](C)(C)C7528.4Standard polar33892256
Deferoxamine,3TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4929.8Semi standard non polar33892256
Deferoxamine,3TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4652.0Standard non polar33892256
Deferoxamine,3TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C6611.6Standard polar33892256
Deferoxamine,3TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5205.7Semi standard non polar33892256
Deferoxamine,3TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4699.0Standard non polar33892256
Deferoxamine,3TMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C6631.1Standard polar33892256
Deferoxamine,3TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5206.9Semi standard non polar33892256
Deferoxamine,3TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4698.6Standard non polar33892256
Deferoxamine,3TMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C6631.2Standard polar33892256
Deferoxamine,4TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5059.2Semi standard non polar33892256
Deferoxamine,4TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4644.4Standard non polar33892256
Deferoxamine,4TMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C6274.9Standard polar33892256
Deferoxamine,1TBDMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C5521.9Semi standard non polar33892256
Deferoxamine,1TBDMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C4928.7Standard non polar33892256
Deferoxamine,1TBDMS,isomer #1CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C7290.2Standard polar33892256
Deferoxamine,1TBDMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C5307.9Semi standard non polar33892256
Deferoxamine,1TBDMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C4742.9Standard non polar33892256
Deferoxamine,1TBDMS,isomer #2CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C7703.5Standard polar33892256
Deferoxamine,1TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C5307.2Semi standard non polar33892256
Deferoxamine,1TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C4742.4Standard non polar33892256
Deferoxamine,1TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C7703.5Standard polar33892256
Deferoxamine,2TBDMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5618.7Semi standard non polar33892256
Deferoxamine,2TBDMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4984.7Standard non polar33892256
Deferoxamine,2TBDMS,isomer #1CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6706.6Standard polar33892256
Deferoxamine,2TBDMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5619.0Semi standard non polar33892256
Deferoxamine,2TBDMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4984.5Standard non polar33892256
Deferoxamine,2TBDMS,isomer #2CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6706.6Standard polar33892256
Deferoxamine,2TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5762.0Semi standard non polar33892256
Deferoxamine,2TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5042.9Standard non polar33892256
Deferoxamine,2TBDMS,isomer #3CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6737.0Standard polar33892256
Deferoxamine,2TBDMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5342.5Semi standard non polar33892256
Deferoxamine,2TBDMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4834.9Standard non polar33892256
Deferoxamine,2TBDMS,isomer #4CC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN(C(=O)CCC(=O)N(O)CCCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C7163.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Deferoxamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0uyu-9351600000-db7e9dcd06da7cb8ce442017-09-01Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine DI-ESI-Hybrid FT , Positive-QTOFsplash10-00di-2901000023-e1b4c2a4d54a44d851b12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine LC-ESI-Hybrid FT , Positive-QTOFsplash10-0007-9621400000-89d305f0c72708d1a2e92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine LC-ESI-qTof , Positive-QTOFsplash10-0udl-0892110000-487a5822b41da03f09482017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine , negative-QTOFsplash10-05ne-1943110000-cfdaf16ce07341d78b592017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine , positive-QTOFsplash10-0udl-0892110000-487a5822b41da03f09482017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine , positive-QTOFsplash10-0007-9621400000-9b6a525f53e7f320f7142017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine , positive-QTOFsplash10-0ikc-1771190000-39b4db7f6f66f4b9474e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Deferoxamine , positive-QTOFsplash10-001i-0111190000-7dabe399b61bdc270ec02017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 10V, Positive-QTOFsplash10-066r-0914140000-564eef1c4ca4057e05672016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 20V, Positive-QTOFsplash10-066r-3912000000-9d41fb6ae4247de66ef22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 40V, Positive-QTOFsplash10-067i-4911000000-7819a57b67abf35540d32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 10V, Negative-QTOFsplash10-0ab9-3141590000-a67788337266f4e2e5e52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 20V, Negative-QTOFsplash10-01bc-6675890000-824c1c1e5fffa6d72d902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 40V, Negative-QTOFsplash10-00kb-7977400000-661b6336ef20e2b1ba692016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 10V, Positive-QTOFsplash10-03dr-0010490000-e97a2d4dca00e317a41e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 20V, Positive-QTOFsplash10-0f79-1122920000-ce9d5dfc81809a482de92021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 40V, Positive-QTOFsplash10-0udi-4691200000-79dab384d40c3ad055782021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 10V, Negative-QTOFsplash10-05fr-9201280000-5cd6e34dc196f2e5d9802021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 20V, Negative-QTOFsplash10-05fr-9402330000-6beb4fc412e7f849419c2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deferoxamine 40V, Negative-QTOFsplash10-014j-4932200000-c770808cdf01ec543d6f2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00746 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00746 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00746
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2867
KEGG Compound IDC06940
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDeferoxamine
METLIN IDNot Available
PubChem Compound2973
PDB IDNot Available
ChEBI ID4356
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. MedlinePlus [Link]

Enzymes

General function:
Involved in oxidoreductase activity
Specific function:
Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:
XDH
Uniprot ID:
P47989
Molecular weight:
146422.99
References
  1. Rinaldo JE, Gorry M: Protection by deferoxamine from endothelial injury: a possible link with inhibition of intracellular xanthine oxidase. Am J Respir Cell Mol Biol. 1990 Dec;3(6):525-33. [PubMed:2252579 ]